SCHEMBL1583590

SCHEMBL1583590

O=S(O)c1ccc(C(F)(F)F)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
EPHX2 P34913 1/20 0.42
KIF11 P52732 4/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.41
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
PLAU P00749 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1827236 0.98 CES2 (0.48) CES2CES1EPHX2KIF11ORAI1
SCHEMBL30097988 0.95 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
SCHEMBL3300798 0.95 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
Water SCHEMBL5129143 0.87 MMP2 (0.40) CES2CES1EPHX2KIF11ALDH1A1
SCHEMBL11859127 0.80 CA1 (0.33)
Butylamine SCHEMBL28095649 0.79 TAAR1 (0.40) CES2CES1CYP1A2ALDH1A1
Tetrabuthylammonium SCHEMBL1826223 0.78 MEN1 (0.38) CES2CES1CYP1A2TSHR
SCHEMBL11330209 0.77 LMNA (0.46) EPHX2KIF11SRD5A2CYP1A2ALDH1A1
SCHEMBL9153089 0.77 CA1 (0.36) ALDH1A1
SCHEMBL4440025 0.77 KIF11 (0.48) KIF11MGLLPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526847-A A kind of synthetic method of N- aryl sulfuryl sulphoxide imine UNIV CHENGDU TECHNOLOGY 2019-12-03 CN claimed
CN-108047102-B 1- phenyl -2- (benzene sulfuryl) methyl -2- propylene -1- ketone, derivative and its synthetic method 湘潭大学 2019-06-07 CN claimed
CN-108047102-A 1- phenyl -2-(Benzene sulfuryl)Methyl -2- propylene -1- ketone, derivative and its synthetic method 湘潭大学 2018-05-18 CN claimed
US-20250275952-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MYOKARDIA INC (US) 2025-09-04 US disclosed
EP-4234017-A2 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MyoKardia, Inc. (US) 2023-08-30 EP disclosed
EP-3247707-B1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MYOKARDIA INC (US) 2023-05-31 EP disclosed
CN-111233600-B Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone 成都理工大学 2022-08-05 CN disclosed
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2022-04-21 US disclosed
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2021-09-21 US disclosed
CN-110526847-B Synthesis method of N-aryl sulfuryl sulfoxide imine 成都理工大学 2021-01-19 CN disclosed
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2020-11-05 US disclosed
CN-104387303-B The asymmetric over cure compound of aryl-aryl, aryl-alkyl, alkyl-alkyl and synthetic method thereof 华东师范大学 2016-06-29 CN disclosed
US-9067949-B2 Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-30 US disclosed
WO-2014028669-A1 NOVEL COMPOUNDS FOR MODULATION OF ROR-GAMMA ACTIVITY BIOGEN IDEC MA INC. (US) 2014-02-20 WO disclosed
EP-2668191-A2 BENZOFURO[3,2-C]PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA Albany Molecular Research, Inc. (US) 2013-12-04 EP disclosed
US-8575186-B2 Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-05 US disclosed
WO-2012099952-A2 BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-26 WO disclosed
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-19 US disclosed
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-05-12 US disclosed
WO-2011044134-A1 EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B CES2 213/4885CES1 178/4885EPHX2 220/4885
US-20250275952-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 CES2 2809/4885CES1 3261/4885EPHX2 4273/4885
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 CES2 2809/4885CES1 3261/4885EPHX2 4273/4885
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 CES2 2809/4885CES1 3261/4885EPHX2 4273/4885
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds TNNI3, UMPS, TNNT2 CES2 2809/4885CES1 3261/4885EPHX2 4273/4885
US-20120184531-A1 BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA HTR6, HTR5A, HTR2C CES2 826/4885CES1 449/4885EPHX2 1630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.